(2-ethyl-1-bicyclo[2.2.1]heptanyl) acetate

C11H18O2 — CID 68741110

IUPAC(2-ethyl-1-bicyclo[2.2.1]heptanyl) acetate
SMILESCCC1CC2CCC1(OC(C)=O)C2
InChIInChI=1S/C11H18O2/c1-3-10-6-9-4-5-11(10,7-9)13-8(2)12/h9-10H,3-7H2,1-2H3
InChIKeyODNIGYHATWSAGT-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.52
Rot. Bonds2

About (2-ethyl-1-bicyclo[2.2.1]heptanyl) acetate

(2-ethyl-1-bicyclo[2.2.1]heptanyl) acetate (PubChem CID 68741110) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (2-ethyl-1-bicyclo[2.2.1]heptanyl) acetate.

Molecular Properties

Compound Name(2-ethyl-1-bicyclo[2.2.1]heptanyl) acetate
PubChem CID68741110
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(2-ethyl-1-bicyclo[2.2.1]heptanyl) acetate
SMILESCCC1CC2CCC1(OC(C)=O)C2
InChIInChI=1S/C11H18O2/c1-3-10-6-9-4-5-11(10,7-9)13-8(2)12/h9-10H,3-7H2,1-2H3
InChIKeyODNIGYHATWSAGT-UHFFFAOYSA-N
XLogP2.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-ethyl-1-bicyclo[2.2.1]heptanyl) acetate?
The IUPAC name of (2-ethyl-1-bicyclo[2.2.1]heptanyl) acetate (CID 68741110) is (2-ethyl-1-bicyclo[2.2.1]heptanyl) acetate.
What is the SMILES notation for (2-ethyl-1-bicyclo[2.2.1]heptanyl) acetate?
The canonical SMILES for (2-ethyl-1-bicyclo[2.2.1]heptanyl) acetate is CCC1CC2CCC1(OC(C)=O)C2.
What is the InChIKey of (2-ethyl-1-bicyclo[2.2.1]heptanyl) acetate?
The InChIKey is ODNIGYHATWSAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-3-10-6-9-4-5-11(10,7-9)13-8(2)12/h9-10H,3-7H2,1-2H3.
What are the key properties of (2-ethyl-1-bicyclo[2.2.1]heptanyl) acetate?
(2-ethyl-1-bicyclo[2.2.1]heptanyl) acetate has a molecular weight of 182.26 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-1-bicyclo[2.2.1]heptanyl) acetate is sourced from PubChem (CID 68741110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).